Geometry & MOs

Info

ID:

223055

PubChem CID:

85334286

Reduced:

N13O13C48H89 (1)

Stoich.:

A13B13C48D89 (1)

Weight, g/mol:

1056.608014

ΔHf, kcal/mol:

-682.87

Dipole, Da:

11.3

IP(EA), eV:

 -9.22(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations